Information card for entry 7220669

Structure parameters

• Chemical name: 2,7-Bis(2,2-diphenylethenyl)-9-(2-ethylhexyl)-3,6-dimethoxycarbazole
• Formula: C101 H102 N2 O5
• Calculated formula: C101 H102 N2 O5
• Title of publication: Structure–property relationship of isomeric diphenylethenyl-disubstituted dimethoxycarbazoles
• Authors of publication: Bucinskas, Audrius; Bagdziunas, Gintautas; Tomkeviciene, Ausra; Volynyuk, Dmytro; Kostiv, Nataliya; Gudeika, Dalius; Jankauskas, Vygintas; Rutkis, Martins; Grazulevicius, Juozas V.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 61
• Pages of publication: 49577
• a: 20.8163 ± 0.0005 Å
• b: 7.6277 ± 0.0002 Å
• c: 26.4292 ± 0.0005 Å
• α: 90°
• β: 91.0202 ± 0.0015°
• γ: 90°
• Cell volume: 4195.78 ± 0.17 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1674
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.2235
• Weighted residual factors for all reflections included in the refinement: 0.2709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No